2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine

C13H13FN2O2S — CID 61366957

IUPAC2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine
SMILESCOc1ccc(CS(=O)c2ncccc2N)cc1F
InChIInChI=1S/C13H13FN2O2S/c1-18-12-5-4-9(7-10(12)14)8-19(17)13-11(15)3-2-6-16-13/h2-7H,8,15H2,1H3
InChIKeyWXUPSGITPVUZHQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds4

About 2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine

2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine (PubChem CID 61366957) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine
PubChem CID61366957
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine
SMILESCOc1ccc(CS(=O)c2ncccc2N)cc1F
InChIInChI=1S/C13H13FN2O2S/c1-18-12-5-4-9(7-10(12)14)8-19(17)13-11(15)3-2-6-16-13/h2-7H,8,15H2,1H3
InChIKeyWXUPSGITPVUZHQ-UHFFFAOYSA-N
XLogP2.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2646355
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CID 89775325
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CID 7759461
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CID 645853
CID 645853
CID 7779727
CID 7779727
CID 155524592
CID 155524592
CID 155553157
CID 155553157
CID 170607300
CID 170607300
CID 170607336
CID 170607336
CID 170607363
CID 170607363
CID 170607374
CID 170607374
CID 3003020
CID 3003020

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine (CID 61366957) is 2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine is COc1ccc(CS(=O)c2ncccc2N)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
The InChIKey is WXUPSGITPVUZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-18-12-5-4-9(7-10(12)14)8-19(17)13-11(15)3-2-6-16-13/h2-7H,8,15H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine has a molecular weight of 280.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methylsulfinyl]pyridin-3-amine is sourced from PubChem (CID 61366957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).